BindingDB PrimarySearch

BDBM50097771 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE::CHEMBL283765::N-[(R)-2-(4-Benzoyl-piperidin-1-yl)-2-oxo-1-phenyl-ethyl]-3-carbamimidoyl-benzamide::N-[2-(4-Benzoyl-piperidin-1-yl)-2-oxo-1-phenyl-ethyl]-3-carbamimidoyl-benzamide

SMILES: NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=SEXVRUMCMJFNTJ-XMMPIXPASA-N

Data: 6 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50097771
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50097771 (3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human coagulation factor Xa				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
Prosthetics Molecular Design Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50097771 (3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50097771 (3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Protherics Molecular Design Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor Xa (fXa)				J Med Chem 45: 1221-32 (2002) BindingDB Entry DOI: 10.7270/Q2319V5W
Protherics Molecular Design Curated by ChEMBL					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50097771 (3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human trypsin				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
Prosthetics Molecular Design Curated by ChEMBL					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50097771 (3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Protherics Molecular Design Curated by ChEMBL					Assay Description Inhibitory concentration against bovine trypsin				J Med Chem 45: 1221-32 (2002) BindingDB Entry DOI: 10.7270/Q2319V5W
Protherics Molecular Design Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50097771 (3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Affinity for human thrombin				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
Prosthetics Molecular Design Curated by ChEMBL					More data for this Ligand-Target Pair